HRID87899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID3017359

1-(3-Chloropropyl)-3-(prop-1-en-2-yl)-1,3-dihydro-2H-benzimidazol-2-one

C13H15ClN2O

HCID20288053

未命名化合物

PRODUCTS

生成物

结构：C=C(C)n1c(=O)n(CCCN2CCC(CC(=O)c3cccc(C)c3)CC2)c2ccccc21

HCID20288028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e6c716aa9484a4bab3e10a86c8be20a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[BrH:18].[CH3:19][c:20]1[cH:21][c:22]([C:26]([CH2:27][CH:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)=[O:34])[cH:23][cH:24][cH:25]1.[CH3:41][CH:42]([CH3:43])[CH2:44][C:45](=[O:46])[CH3:47].[Cl:1][CH2:2][CH2:3][CH2:4][n:5]1[c:6](=[O:17])[n:7]([C:14](=[CH2:15])[CH3:16])[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:48]>>[CH2:2]([CH2:3][CH2:4][n:5]1[c:6](=[O:17])[n:7]([C:14](=[CH2:15])[CH3:16])[c:8]2[c:9]1[cH:10][cH:11][cH:12][cH:13]2)[N:31]1[CH2:30][CH2:29][CH:28]([CH2:27][C:26]([c:22]2[cH:21][c:20]([CH3:19])[cH:25][cH:24][cH:23]2)=[O:34])[CH2:33][CH2:32]1